6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile

C24H22N10 — CID 57335361

IUPAC6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile
SMILESCc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C24H22N10/c1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
InChIKeyGNULTTOZNOKDFM-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.65
Rot. Bonds3

About 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile

6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile (PubChem CID 57335361) has the molecular formula C24H22N10 and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile
PubChem CID57335361
Molecular FormulaC24H22N10
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile
SMILESCc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C24H22N10/c1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
InChIKeyGNULTTOZNOKDFM-UHFFFAOYSA-N
XLogP3.65
TPSA137.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile (CID 57335361) is 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile is Cc1ncnn1-c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is GNULTTOZNOKDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N10/c1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28).
What are the key properties of 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 450.51 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 57335361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).